USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 SER OG : rot 180:sc= 0.00916 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc=-0.00519 USER MOD Set 1.3: A 35 THR OG1 : rot -160:sc= -0.381 USER MOD Set 2.1: A 24 ASN : amide:sc= -0.644 K(o=-2.6,f=-1.3) USER MOD Set 2.2: A 27 GLN : amide:sc= -1.91 X(o=-2.6,f=-2.8) USER MOD Single : A 6 SER OG : rot 180:sc= -0.161 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.2) USER MOD Single : A 14 MET CE :methyl -173:sc= -1.05 (180deg=-1.21) USER MOD Single : A 16 SER OG : rot -64:sc= 0.174 USER MOD Single : A 20 CYS SG : rot 86:sc= -0.415 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.1!) USER MOD Single : A 36 ASN : amide:sc= -1.12 K(o=-1.1,f=-7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0463 X(o=-0.046,f=-0.34) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 154:sc= -0.196 (180deg=-0.869) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 76:sc= 1.01 USER MOD Single : A 69 GLN : amide:sc= -0.165 K(o=-0.17,f=-3.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.666 USER MOD Single : A 78 CYS SG : rot -27:sc= -0.296 USER MOD Single : A 80 TYR OH : rot -108:sc= 0.414 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 6 -0.428 -11.645 -2.622 1.00 10.42 N ATOM 67 CA SER A 6 -1.073 -12.617 -1.747 1.00 13.32 C ATOM 68 C SER A 6 -0.837 -12.269 -0.280 1.00 1.55 C ATOM 69 O SER A 6 0.157 -12.684 0.314 1.00 70.20 O ATOM 70 CB SER A 6 -0.547 -14.025 -2.039 1.00 31.11 C ATOM 71 OG SER A 6 -1.316 -14.654 -3.051 1.00 12.30 O ATOM 0 HA SER A 6 -2.145 -12.589 -1.941 1.00 13.32 H new ATOM 0 HB2 SER A 6 0.496 -13.970 -2.351 1.00 31.11 H new ATOM 0 HB3 SER A 6 -0.577 -14.624 -1.129 1.00 31.11 H new ATOM 0 HG SER A 6 -0.961 -15.551 -3.222 1.00 12.30 H new ATOM 77 N GLU A 7 -1.759 -11.505 0.295 1.00 25.12 N ATOM 78 CA GLU A 7 -1.652 -11.099 1.692 1.00 23.40 C ATOM 79 C GLU A 7 -1.483 -12.315 2.599 1.00 11.43 C ATOM 80 O GLU A 7 -0.852 -12.233 3.653 1.00 4.20 O ATOM 81 CB GLU A 7 -2.889 -10.304 2.112 1.00 61.41 C ATOM 82 CG GLU A 7 -2.863 -8.853 1.660 1.00 52.15 C ATOM 83 CD GLU A 7 -4.129 -8.104 2.028 1.00 32.24 C ATOM 84 OE1 GLU A 7 -4.300 -7.779 3.222 1.00 63.30 O ATOM 85 OE2 GLU A 7 -4.948 -7.844 1.122 1.00 13.40 O ATOM 0 H GLU A 7 -2.588 -11.154 -0.184 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.771 -10.465 1.793 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -3.777 -10.787 1.704 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -2.980 -10.336 3.198 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -2.005 -8.352 2.109 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -2.724 -8.815 0.580 1.00 52.15 H new ATOM 92 N GLU A 8 -2.053 -13.442 2.181 1.00 62.33 N ATOM 93 CA GLU A 8 -1.966 -14.673 2.957 1.00 22.01 C ATOM 94 C GLU A 8 -0.521 -15.156 3.053 1.00 45.53 C ATOM 95 O GLU A 8 -0.010 -15.407 4.145 1.00 0.33 O ATOM 96 CB GLU A 8 -2.838 -15.761 2.328 1.00 5.22 C ATOM 97 CG GLU A 8 -2.967 -17.010 3.184 1.00 4.01 C ATOM 98 CD GLU A 8 -4.046 -17.951 2.683 1.00 65.32 C ATOM 99 OE1 GLU A 8 -5.130 -17.462 2.305 1.00 10.50 O ATOM 100 OE2 GLU A 8 -3.805 -19.177 2.672 1.00 20.33 O ATOM 0 H GLU A 8 -2.579 -13.527 1.311 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.328 -14.464 3.964 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.832 -15.355 2.141 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.419 -16.036 1.360 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -2.012 -17.535 3.201 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.190 -16.721 4.211 1.00 4.01 H new ATOM 107 N ILE A 9 0.131 -15.284 1.902 1.00 60.43 N ATOM 108 CA ILE A 9 1.515 -15.736 1.855 1.00 52.14 C ATOM 109 C ILE A 9 2.464 -14.653 2.359 1.00 13.42 C ATOM 110 O ILE A 9 3.503 -14.949 2.951 1.00 51.22 O ATOM 111 CB ILE A 9 1.928 -16.140 0.427 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.845 -17.010 -0.213 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.261 -16.875 0.449 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.213 -17.519 -1.589 1.00 72.45 C ATOM 0 H ILE A 9 -0.278 -15.081 0.990 1.00 60.43 H new ATOM 0 HA ILE A 9 1.584 -16.608 2.505 1.00 52.14 H new ATOM 0 HB ILE A 9 2.043 -15.236 -0.172 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.642 -17.861 0.438 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.078 -16.434 -0.282 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.539 -17.154 -0.567 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.028 -16.225 0.870 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.171 -17.773 1.060 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.399 -18.128 -1.981 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.387 -16.674 -2.255 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.119 -18.122 -1.524 1.00 72.45 H new ATOM 126 N LYS A 10 2.101 -13.398 2.121 1.00 24.45 N ATOM 127 CA LYS A 10 2.916 -12.270 2.553 1.00 53.51 C ATOM 128 C LYS A 10 3.260 -12.382 4.035 1.00 24.33 C ATOM 129 O LYS A 10 4.384 -12.093 4.444 1.00 33.51 O ATOM 130 CB LYS A 10 2.183 -10.952 2.288 1.00 74.03 C ATOM 131 CG LYS A 10 3.112 -9.762 2.128 1.00 54.41 C ATOM 132 CD LYS A 10 3.552 -9.212 3.474 1.00 65.13 C ATOM 133 CE LYS A 10 4.128 -7.810 3.343 1.00 45.24 C ATOM 134 NZ LYS A 10 5.536 -7.833 2.858 1.00 3.11 N ATOM 0 H LYS A 10 1.246 -13.136 1.630 1.00 24.45 H new ATOM 0 HA LYS A 10 3.843 -12.285 1.980 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.581 -11.056 1.386 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.495 -10.757 3.110 1.00 74.03 H new ATOM 0 HG2 LYS A 10 3.988 -10.058 1.551 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.607 -8.979 1.562 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.702 -9.195 4.156 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.299 -9.874 3.912 1.00 65.13 H new ATOM 0 HE2 LYS A 10 3.516 -7.229 2.654 1.00 45.24 H new ATOM 0 HE3 LYS A 10 4.085 -7.308 4.309 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 5.893 -6.859 2.782 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 6.125 -8.366 3.529 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 5.574 -8.290 1.924 1.00 3.11 H new ATOM 148 N ALA A 11 2.287 -12.807 4.833 1.00 50.21 N ATOM 149 CA ALA A 11 2.489 -12.962 6.268 1.00 34.33 C ATOM 150 C ALA A 11 3.424 -14.128 6.569 1.00 4.45 C ATOM 151 O ALA A 11 4.162 -14.105 7.553 1.00 53.20 O ATOM 152 CB ALA A 11 1.153 -13.160 6.971 1.00 43.42 C ATOM 0 H ALA A 11 1.351 -13.050 4.510 1.00 50.21 H new ATOM 0 HA ALA A 11 2.954 -12.051 6.644 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.319 -13.274 8.042 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.516 -12.293 6.793 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.666 -14.054 6.582 1.00 43.42 H new ATOM 158 N GLN A 12 3.386 -15.146 5.715 1.00 24.33 N ATOM 159 CA GLN A 12 4.229 -16.323 5.892 1.00 2.14 C ATOM 160 C GLN A 12 5.673 -16.019 5.504 1.00 42.14 C ATOM 161 O GLN A 12 6.607 -16.368 6.226 1.00 75.20 O ATOM 162 CB GLN A 12 3.699 -17.488 5.055 1.00 54.01 C ATOM 163 CG GLN A 12 2.514 -18.201 5.687 1.00 32.44 C ATOM 164 CD GLN A 12 2.925 -19.436 6.462 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.803 -20.559 5.973 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.413 -19.235 7.681 1.00 62.23 N ATOM 0 H GLN A 12 2.781 -15.180 4.894 1.00 24.33 H new ATOM 0 HA GLN A 12 4.204 -16.602 6.945 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.407 -17.116 4.073 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.503 -18.207 4.897 1.00 54.01 H new ATOM 0 HG2 GLN A 12 1.994 -17.514 6.355 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.807 -18.484 4.907 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.497 -18.287 8.047 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.704 -20.029 8.251 1.00 62.23 H new ATOM 175 N VAL A 13 5.850 -15.367 4.358 1.00 55.30 N ATOM 176 CA VAL A 13 7.179 -15.017 3.876 1.00 61.15 C ATOM 177 C VAL A 13 7.864 -14.030 4.815 1.00 35.34 C ATOM 178 O VAL A 13 9.047 -14.170 5.124 1.00 43.12 O ATOM 179 CB VAL A 13 7.120 -14.406 2.462 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.682 -15.450 1.447 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.189 -13.204 2.442 1.00 71.30 C ATOM 0 H VAL A 13 5.088 -15.071 3.747 1.00 55.30 H new ATOM 0 HA VAL A 13 7.756 -15.941 3.842 1.00 61.15 H new ATOM 0 HB VAL A 13 8.119 -14.067 2.188 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.646 -15.000 0.455 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.393 -16.276 1.445 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.693 -15.823 1.712 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.158 -12.784 1.437 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.187 -13.515 2.736 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.554 -12.450 3.139 1.00 71.30 H new ATOM 191 N MET A 14 7.110 -13.034 5.269 1.00 13.51 N ATOM 192 CA MET A 14 7.644 -12.025 6.176 1.00 42.15 C ATOM 193 C MET A 14 7.916 -12.621 7.553 1.00 13.12 C ATOM 194 O MET A 14 8.900 -12.276 8.205 1.00 73.12 O ATOM 195 CB MET A 14 6.668 -10.853 6.299 1.00 42.43 C ATOM 196 CG MET A 14 5.368 -11.214 6.995 1.00 3.14 C ATOM 197 SD MET A 14 5.399 -10.849 8.761 1.00 42.00 S ATOM 198 CE MET A 14 3.794 -11.462 9.263 1.00 52.44 C ATOM 0 H MET A 14 6.128 -12.904 5.024 1.00 13.51 H new ATOM 0 HA MET A 14 8.586 -11.663 5.764 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.152 -10.045 6.848 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.443 -10.472 5.303 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.548 -10.668 6.530 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.166 -12.275 6.851 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.612 -11.196 10.304 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.022 -11.017 8.635 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.769 -12.546 9.156 1.00 52.44 H new ATOM 208 N GLU A 15 7.036 -13.518 7.989 1.00 31.13 N ATOM 209 CA GLU A 15 7.183 -14.161 9.290 1.00 3.51 C ATOM 210 C GLU A 15 8.390 -15.094 9.303 1.00 40.41 C ATOM 211 O GLU A 15 9.073 -15.229 10.318 1.00 50.11 O ATOM 212 CB GLU A 15 5.916 -14.943 9.643 1.00 51.42 C ATOM 213 CG GLU A 15 6.001 -15.670 10.974 1.00 64.33 C ATOM 214 CD GLU A 15 4.654 -16.182 11.446 1.00 14.11 C ATOM 215 OE1 GLU A 15 4.161 -17.175 10.870 1.00 12.44 O ATOM 216 OE2 GLU A 15 4.091 -15.590 12.391 1.00 72.54 O ATOM 0 H GLU A 15 6.215 -13.815 7.461 1.00 31.13 H new ATOM 0 HA GLU A 15 7.340 -13.382 10.036 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.070 -14.256 9.667 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.715 -15.668 8.855 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.692 -16.508 10.883 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.413 -14.997 11.726 1.00 64.33 H new ATOM 223 N SER A 16 8.647 -15.735 8.168 1.00 34.34 N ATOM 224 CA SER A 16 9.769 -16.660 8.049 1.00 4.21 C ATOM 225 C SER A 16 11.090 -15.901 7.959 1.00 25.30 C ATOM 226 O SER A 16 12.089 -16.300 8.557 1.00 71.45 O ATOM 227 CB SER A 16 9.594 -17.551 6.818 1.00 21.44 C ATOM 228 OG SER A 16 10.234 -16.989 5.686 1.00 73.30 O ATOM 0 H SER A 16 8.094 -15.631 7.317 1.00 34.34 H new ATOM 0 HA SER A 16 9.789 -17.286 8.941 1.00 4.21 H new ATOM 0 HB2 SER A 16 10.007 -18.540 7.019 1.00 21.44 H new ATOM 0 HB3 SER A 16 8.532 -17.685 6.610 1.00 21.44 H new ATOM 0 HG SER A 16 9.807 -16.137 5.458 1.00 73.30 H new ATOM 234 N VAL A 17 11.086 -14.805 7.207 1.00 40.23 N ATOM 235 CA VAL A 17 12.282 -13.990 7.038 1.00 71.33 C ATOM 236 C VAL A 17 12.722 -13.378 8.363 1.00 73.43 C ATOM 237 O VAL A 17 13.876 -13.519 8.771 1.00 75.50 O ATOM 238 CB VAL A 17 12.053 -12.861 6.016 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.247 -11.920 5.981 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.780 -13.440 4.635 1.00 64.43 C ATOM 0 H VAL A 17 10.267 -14.461 6.705 1.00 40.23 H new ATOM 0 HA VAL A 17 13.065 -14.652 6.668 1.00 71.33 H new ATOM 0 HB VAL A 17 11.179 -12.288 6.325 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.066 -11.129 5.253 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.392 -11.479 6.967 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.141 -12.476 5.698 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.620 -12.628 3.925 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.633 -14.038 4.316 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.890 -14.069 4.673 1.00 64.43 H new ATOM 250 N ILE A 18 11.795 -12.699 9.031 1.00 20.20 N ATOM 251 CA ILE A 18 12.087 -12.067 10.313 1.00 4.21 C ATOM 252 C ILE A 18 12.793 -13.036 11.255 1.00 21.34 C ATOM 253 O ILE A 18 13.848 -12.725 11.806 1.00 62.42 O ATOM 254 CB ILE A 18 10.804 -11.552 10.990 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.174 -10.435 10.156 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.110 -11.062 12.399 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.708 -10.213 10.453 1.00 14.31 C ATOM 0 H ILE A 18 10.836 -12.572 8.706 1.00 20.20 H new ATOM 0 HA ILE A 18 12.744 -11.222 10.107 1.00 4.21 H new ATOM 0 HB ILE A 18 10.091 -12.374 11.058 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.717 -9.507 10.336 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.290 -10.672 9.099 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.194 -10.701 12.866 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.518 -11.883 12.989 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.837 -10.251 12.352 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.328 -9.407 9.826 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.152 -11.127 10.246 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.586 -9.944 11.502 1.00 14.31 H new ATOM 269 N GLY A 19 12.203 -14.215 11.435 1.00 20.44 N ATOM 270 CA GLY A 19 12.791 -15.212 12.310 1.00 33.42 C ATOM 271 C GLY A 19 14.004 -15.882 11.695 1.00 43.03 C ATOM 272 O GLY A 19 14.855 -16.415 12.407 1.00 24.14 O ATOM 0 H GLY A 19 11.329 -14.496 10.991 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.078 -14.741 13.250 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.043 -15.969 12.547 1.00 33.42 H new ATOM 276 N CYS A 20 14.083 -15.855 10.369 1.00 11.52 N ATOM 277 CA CYS A 20 15.200 -16.466 9.658 1.00 1.22 C ATOM 278 C CYS A 20 16.513 -15.774 10.009 1.00 65.11 C ATOM 279 O CYS A 20 17.498 -16.427 10.357 1.00 25.20 O ATOM 280 CB CYS A 20 14.965 -16.404 8.148 1.00 12.21 C ATOM 281 SG CYS A 20 14.431 -17.970 7.419 1.00 23.42 S ATOM 0 H CYS A 20 13.387 -15.417 9.765 1.00 11.52 H new ATOM 0 HA CYS A 20 15.267 -17.509 9.966 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.213 -15.643 7.939 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.886 -16.084 7.661 1.00 12.21 H new ATOM 0 HG CYS A 20 13.140 -18.080 7.525 1.00 23.42 H new ATOM 287 N LEU A 21 16.521 -14.449 9.914 1.00 53.41 N ATOM 288 CA LEU A 21 17.714 -13.667 10.221 1.00 51.22 C ATOM 289 C LEU A 21 17.571 -12.962 11.567 1.00 15.30 C ATOM 290 O LEU A 21 18.437 -12.183 11.966 1.00 53.22 O ATOM 291 CB LEU A 21 17.971 -12.639 9.118 1.00 25.12 C ATOM 292 CG LEU A 21 16.754 -12.224 8.291 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.942 -10.823 7.730 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.509 -13.221 7.167 1.00 52.43 C ATOM 0 H LEU A 21 15.715 -13.894 9.627 1.00 53.41 H new ATOM 0 HA LEU A 21 18.562 -14.349 10.278 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.397 -11.745 9.574 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.725 -13.042 8.442 1.00 25.12 H new ATOM 0 HG LEU A 21 15.880 -12.218 8.943 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.066 -10.545 7.144 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.069 -10.117 8.550 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.826 -10.802 7.093 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.639 -12.910 6.588 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.383 -13.258 6.517 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.329 -14.209 7.590 1.00 52.43 H new ATOM 306 N LYS A 22 16.475 -13.243 12.262 1.00 1.40 N ATOM 307 CA LYS A 22 16.220 -12.638 13.565 1.00 75.54 C ATOM 308 C LYS A 22 16.350 -11.121 13.496 1.00 52.33 C ATOM 309 O LYS A 22 17.437 -10.571 13.684 1.00 32.45 O ATOM 310 CB LYS A 22 17.189 -13.198 14.608 1.00 53.14 C ATOM 311 CG LYS A 22 17.294 -14.713 14.591 1.00 11.31 C ATOM 312 CD LYS A 22 15.984 -15.366 14.999 1.00 24.50 C ATOM 313 CE LYS A 22 15.903 -15.562 16.505 1.00 14.00 C ATOM 314 NZ LYS A 22 15.121 -16.777 16.866 1.00 54.14 N ATOM 0 H LYS A 22 15.749 -13.886 11.946 1.00 1.40 H new ATOM 0 HA LYS A 22 15.199 -12.883 13.858 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.178 -12.772 14.438 1.00 53.14 H new ATOM 0 HB3 LYS A 22 16.869 -12.876 15.599 1.00 53.14 H new ATOM 0 HG2 LYS A 22 17.573 -15.048 13.592 1.00 11.31 H new ATOM 0 HG3 LYS A 22 18.087 -15.032 15.268 1.00 11.31 H new ATOM 0 HD2 LYS A 22 15.150 -14.749 14.666 1.00 24.50 H new ATOM 0 HD3 LYS A 22 15.886 -16.330 14.500 1.00 24.50 H new ATOM 0 HE2 LYS A 22 16.910 -15.643 16.915 1.00 14.00 H new ATOM 0 HE3 LYS A 22 15.443 -14.685 16.961 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 15.089 -16.875 17.901 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 14.153 -16.689 16.497 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 15.574 -17.617 16.453 1.00 54.14 H new ATOM 328 N LEU A 23 15.237 -10.447 13.226 1.00 63.12 N ATOM 329 CA LEU A 23 15.227 -8.991 13.135 1.00 10.22 C ATOM 330 C LEU A 23 14.779 -8.366 14.452 1.00 71.20 C ATOM 331 O LEU A 23 14.237 -9.046 15.320 1.00 42.11 O ATOM 332 CB LEU A 23 14.305 -8.538 12.001 1.00 24.31 C ATOM 333 CG LEU A 23 14.876 -8.645 10.588 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.184 -7.877 10.481 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.078 -10.103 10.203 1.00 71.34 C ATOM 0 H LEU A 23 14.330 -10.886 13.066 1.00 63.12 H new ATOM 0 HA LEU A 23 16.243 -8.657 12.924 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.389 -9.128 12.047 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.025 -7.500 12.180 1.00 24.31 H new ATOM 0 HG LEU A 23 14.161 -8.203 9.894 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.576 -7.965 9.468 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.009 -6.826 10.713 1.00 62.24 H new ATOM 0 HD13 LEU A 23 16.906 -8.289 11.186 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.485 -10.160 9.194 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.772 -10.571 10.901 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.121 -10.624 10.238 1.00 71.34 H new ATOM 347 N ASN A 24 15.009 -7.063 14.591 1.00 45.20 N ATOM 348 CA ASN A 24 14.628 -6.345 15.801 1.00 65.04 C ATOM 349 C ASN A 24 13.557 -5.300 15.499 1.00 22.23 C ATOM 350 O ASN A 24 13.222 -5.057 14.339 1.00 61.52 O ATOM 351 CB ASN A 24 15.850 -5.673 16.427 1.00 25.14 C ATOM 352 CG ASN A 24 16.927 -6.670 16.807 1.00 24.34 C ATOM 353 OD1 ASN A 24 16.671 -7.631 17.532 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.141 -6.446 16.317 1.00 12.31 N ATOM 0 H ASN A 24 15.457 -6.484 13.881 1.00 45.20 H new ATOM 0 HA ASN A 24 14.218 -7.067 16.507 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.262 -4.948 15.725 1.00 25.14 H new ATOM 0 HB3 ASN A 24 15.542 -5.119 17.314 1.00 25.14 H new ATOM 0 HD21 ASN A 24 18.906 -7.084 16.538 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.308 -5.636 15.720 1.00 12.31 H new ATOM 361 N ASP A 25 13.025 -4.686 16.549 1.00 44.23 N ATOM 362 CA ASP A 25 11.995 -3.664 16.397 1.00 34.40 C ATOM 363 C ASP A 25 12.465 -2.551 15.467 1.00 23.34 C ATOM 364 O ASP A 25 11.656 -1.872 14.837 1.00 45.40 O ATOM 365 CB ASP A 25 11.619 -3.082 17.761 1.00 1.51 C ATOM 366 CG ASP A 25 11.408 -4.155 18.811 1.00 64.32 C ATOM 367 OD1 ASP A 25 10.736 -5.162 18.505 1.00 24.33 O ATOM 368 OD2 ASP A 25 11.917 -3.989 19.939 1.00 20.14 O ATOM 0 H ASP A 25 13.289 -4.878 17.515 1.00 44.23 H new ATOM 0 HA ASP A 25 11.116 -4.133 15.956 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.405 -2.403 18.092 1.00 1.51 H new ATOM 0 HB3 ASP A 25 10.709 -2.491 17.662 1.00 1.51 H new ATOM 373 N GLU A 26 13.780 -2.370 15.388 1.00 23.44 N ATOM 374 CA GLU A 26 14.357 -1.337 14.535 1.00 51.55 C ATOM 375 C GLU A 26 14.335 -1.765 13.070 1.00 41.22 C ATOM 376 O GLU A 26 13.995 -0.977 12.189 1.00 64.53 O ATOM 377 CB GLU A 26 15.794 -1.032 14.968 1.00 23.33 C ATOM 378 CG GLU A 26 16.233 0.390 14.660 1.00 11.13 C ATOM 379 CD GLU A 26 17.711 0.611 14.914 1.00 33.12 C ATOM 380 OE1 GLU A 26 18.423 -0.381 15.174 1.00 10.11 O ATOM 381 OE2 GLU A 26 18.155 1.777 14.854 1.00 53.41 O ATOM 0 H GLU A 26 14.464 -2.924 15.903 1.00 23.44 H new ATOM 0 HA GLU A 26 13.754 -0.435 14.640 1.00 51.55 H new ATOM 0 HB2 GLU A 26 15.887 -1.208 16.040 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.470 -1.728 14.471 1.00 23.33 H new ATOM 0 HG2 GLU A 26 16.009 0.618 13.618 1.00 11.13 H new ATOM 0 HG3 GLU A 26 15.655 1.085 15.270 1.00 11.13 H new ATOM 388 N GLN A 27 14.700 -3.018 12.821 1.00 43.14 N ATOM 389 CA GLN A 27 14.723 -3.551 11.464 1.00 70.43 C ATOM 390 C GLN A 27 13.307 -3.747 10.932 1.00 74.33 C ATOM 391 O GLN A 27 13.079 -3.734 9.722 1.00 70.11 O ATOM 392 CB GLN A 27 15.482 -4.877 11.427 1.00 60.33 C ATOM 393 CG GLN A 27 16.994 -4.713 11.434 1.00 35.01 C ATOM 394 CD GLN A 27 17.491 -3.945 12.643 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.529 -2.714 12.637 1.00 33.13 O ATOM 396 NE2 GLN A 27 17.876 -4.668 13.688 1.00 31.11 N ATOM 0 H GLN A 27 14.984 -3.683 13.541 1.00 43.14 H new ATOM 0 HA GLN A 27 15.235 -2.830 10.826 1.00 70.43 H new ATOM 0 HB2 GLN A 27 15.186 -5.480 12.286 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.189 -5.429 10.534 1.00 60.33 H new ATOM 0 HG2 GLN A 27 17.463 -5.697 11.415 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.304 -4.195 10.526 1.00 35.01 H new ATOM 0 HE21 GLN A 27 17.828 -5.686 13.649 1.00 31.11 H new ATOM 0 HE22 GLN A 27 18.220 -4.205 14.529 1.00 31.11 H new ATOM 405 N LYS A 28 12.358 -3.927 11.843 1.00 33.40 N ATOM 406 CA LYS A 28 10.962 -4.126 11.467 1.00 0.31 C ATOM 407 C LYS A 28 10.323 -2.809 11.038 1.00 73.13 C ATOM 408 O LYS A 28 9.621 -2.751 10.029 1.00 33.23 O ATOM 409 CB LYS A 28 10.179 -4.730 12.635 1.00 10.45 C ATOM 410 CG LYS A 28 10.632 -6.129 13.013 1.00 2.22 C ATOM 411 CD LYS A 28 10.144 -6.518 14.398 1.00 53.25 C ATOM 412 CE LYS A 28 8.731 -7.081 14.353 1.00 14.30 C ATOM 413 NZ LYS A 28 8.462 -7.995 15.498 1.00 1.02 N ATOM 0 H LYS A 28 12.529 -3.939 12.848 1.00 33.40 H new ATOM 0 HA LYS A 28 10.932 -4.816 10.624 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.278 -4.078 13.503 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.121 -4.758 12.376 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.258 -6.844 12.280 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.720 -6.181 12.982 1.00 2.22 H new ATOM 0 HD2 LYS A 28 10.818 -7.259 14.828 1.00 53.25 H new ATOM 0 HD3 LYS A 28 10.169 -5.646 15.052 1.00 53.25 H new ATOM 0 HE2 LYS A 28 8.013 -6.261 14.366 1.00 14.30 H new ATOM 0 HE3 LYS A 28 8.584 -7.619 13.416 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 7.490 -8.358 15.432 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 9.131 -8.791 15.471 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 8.577 -7.475 16.391 1.00 1.02 H new ATOM 427 N GLN A 29 10.572 -1.757 11.810 1.00 54.00 N ATOM 428 CA GLN A 29 10.020 -0.441 11.508 1.00 31.22 C ATOM 429 C GLN A 29 10.602 0.109 10.210 1.00 50.15 C ATOM 430 O GLN A 29 9.999 0.963 9.560 1.00 72.44 O ATOM 431 CB GLN A 29 10.298 0.529 12.657 1.00 30.00 C ATOM 432 CG GLN A 29 11.779 0.753 12.919 1.00 61.43 C ATOM 433 CD GLN A 29 12.077 2.148 13.430 1.00 52.42 C ATOM 434 OE1 GLN A 29 11.167 2.945 13.659 1.00 3.31 O ATOM 435 NE2 GLN A 29 13.357 2.452 13.611 1.00 52.22 N ATOM 0 H GLN A 29 11.152 -1.789 12.649 1.00 54.00 H new ATOM 0 HA GLN A 29 8.942 -0.547 11.385 1.00 31.22 H new ATOM 0 HB2 GLN A 29 9.828 1.487 12.435 1.00 30.00 H new ATOM 0 HB3 GLN A 29 9.830 0.148 13.565 1.00 30.00 H new ATOM 0 HG2 GLN A 29 12.130 0.021 13.646 1.00 61.43 H new ATOM 0 HG3 GLN A 29 12.337 0.581 11.999 1.00 61.43 H new ATOM 0 HE21 GLN A 29 14.079 1.761 13.408 1.00 52.22 H new ATOM 0 HE22 GLN A 29 13.618 3.377 13.953 1.00 52.22 H new ATOM 444 N ILE A 30 11.779 -0.385 9.839 1.00 2.02 N ATOM 445 CA ILE A 30 12.443 0.056 8.619 1.00 13.22 C ATOM 446 C ILE A 30 12.353 -1.007 7.529 1.00 11.13 C ATOM 447 O ILE A 30 13.128 -0.997 6.572 1.00 22.43 O ATOM 448 CB ILE A 30 13.924 0.391 8.873 1.00 43.52 C ATOM 449 CG1 ILE A 30 14.693 -0.869 9.275 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.048 1.459 9.949 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.506 -1.465 8.147 1.00 63.02 C ATOM 0 H ILE A 30 12.292 -1.091 10.367 1.00 2.02 H new ATOM 0 HA ILE A 30 11.927 0.957 8.288 1.00 13.22 H new ATOM 0 HB ILE A 30 14.357 0.779 7.951 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.358 -0.630 10.105 1.00 24.21 H new ATOM 0 HG13 ILE A 30 13.987 -1.616 9.637 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.101 1.685 10.117 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.530 2.362 9.627 1.00 14.42 H new ATOM 0 HG23 ILE A 30 13.602 1.096 10.875 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.025 -2.355 8.503 1.00 63.02 H new ATOM 0 HD12 ILE A 30 14.844 -1.736 7.325 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.236 -0.734 7.799 1.00 63.02 H new ATOM 463 N LEU A 31 11.402 -1.922 7.679 1.00 64.14 N ATOM 464 CA LEU A 31 11.209 -2.992 6.706 1.00 21.12 C ATOM 465 C LEU A 31 10.105 -2.634 5.716 1.00 14.43 C ATOM 466 O LEU A 31 9.151 -1.937 6.060 1.00 1.54 O ATOM 467 CB LEU A 31 10.865 -4.300 7.420 1.00 41.11 C ATOM 468 CG LEU A 31 11.632 -5.539 6.955 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.837 -6.504 8.113 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.898 -6.223 5.812 1.00 12.21 C ATOM 0 H LEU A 31 10.752 -1.945 8.465 1.00 64.14 H new ATOM 0 HA LEU A 31 12.140 -3.121 6.153 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.043 -4.166 8.487 1.00 41.11 H new ATOM 0 HB3 LEU A 31 9.799 -4.489 7.296 1.00 41.11 H new ATOM 0 HG LEU A 31 12.611 -5.223 6.594 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.384 -7.380 7.764 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.406 -6.011 8.901 1.00 40.33 H new ATOM 0 HD13 LEU A 31 10.868 -6.814 8.504 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.458 -7.102 5.494 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.906 -6.526 6.146 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.803 -5.531 4.975 1.00 12.21 H new ATOM 482 N SER A 32 10.242 -3.119 4.486 1.00 11.55 N ATOM 483 CA SER A 32 9.257 -2.849 3.445 1.00 52.24 C ATOM 484 C SER A 32 9.294 -3.930 2.369 1.00 35.45 C ATOM 485 O SER A 32 10.285 -4.645 2.224 1.00 30.51 O ATOM 486 CB SER A 32 9.512 -1.478 2.814 1.00 52.12 C ATOM 487 OG SER A 32 9.130 -1.466 1.449 1.00 54.11 O ATOM 0 H SER A 32 11.025 -3.700 4.186 1.00 11.55 H new ATOM 0 HA SER A 32 8.269 -2.851 3.905 1.00 52.24 H new ATOM 0 HB2 SER A 32 8.955 -0.715 3.357 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.569 -1.225 2.902 1.00 52.12 H new ATOM 0 HG SER A 32 9.301 -0.579 1.069 1.00 54.11 H new ATOM 493 N GLY A 33 8.203 -4.045 1.616 1.00 1.31 N ATOM 494 CA GLY A 33 8.130 -5.042 0.564 1.00 55.30 C ATOM 495 C GLY A 33 9.147 -4.800 -0.534 1.00 2.44 C ATOM 496 O GLY A 33 9.695 -5.746 -1.102 1.00 22.34 O ATOM 0 H GLY A 33 7.369 -3.466 1.716 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.291 -6.031 0.993 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.128 -5.040 0.134 1.00 55.30 H new ATOM 500 N THR A 34 9.399 -3.531 -0.837 1.00 51.35 N ATOM 501 CA THR A 34 10.354 -3.168 -1.877 1.00 3.10 C ATOM 502 C THR A 34 11.736 -2.913 -1.288 1.00 64.01 C ATOM 503 O THR A 34 12.446 -2.001 -1.713 1.00 73.14 O ATOM 504 CB THR A 34 9.897 -1.914 -2.645 1.00 42.35 C ATOM 505 OG1 THR A 34 9.972 -0.764 -1.796 1.00 2.24 O ATOM 506 CG2 THR A 34 8.474 -2.081 -3.157 1.00 32.33 C ATOM 0 H THR A 34 8.955 -2.736 -0.377 1.00 51.35 H new ATOM 0 HA THR A 34 10.406 -4.010 -2.568 1.00 3.10 H new ATOM 0 HB THR A 34 10.560 -1.777 -3.499 1.00 42.35 H new ATOM 0 HG1 THR A 34 9.681 0.029 -2.293 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.173 -1.183 -3.696 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.427 -2.939 -3.827 1.00 32.33 H new ATOM 0 HG23 THR A 34 7.801 -2.241 -2.315 1.00 32.33 H new ATOM 514 N THR A 35 12.116 -3.727 -0.307 1.00 44.01 N ATOM 515 CA THR A 35 13.415 -3.589 0.340 1.00 42.43 C ATOM 516 C THR A 35 14.199 -4.895 0.282 1.00 0.31 C ATOM 517 O THR A 35 13.900 -5.843 1.008 1.00 42.14 O ATOM 518 CB THR A 35 13.266 -3.158 1.811 1.00 23.32 C ATOM 519 OG1 THR A 35 12.597 -1.895 1.886 1.00 14.23 O ATOM 520 CG2 THR A 35 14.626 -3.058 2.486 1.00 52.31 C ATOM 0 H THR A 35 11.542 -4.488 0.056 1.00 44.01 H new ATOM 0 HA THR A 35 13.959 -2.817 -0.204 1.00 42.43 H new ATOM 0 HB THR A 35 12.675 -3.913 2.330 1.00 23.32 H new ATOM 0 HG1 THR A 35 12.780 -1.479 2.754 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.495 -2.752 3.524 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.121 -4.029 2.453 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.238 -2.321 1.965 1.00 52.31 H new ATOM 528 N ASN A 36 15.204 -4.938 -0.587 1.00 22.34 N ATOM 529 CA ASN A 36 16.032 -6.129 -0.739 1.00 3.42 C ATOM 530 C ASN A 36 16.600 -6.573 0.606 1.00 24.22 C ATOM 531 O ASN A 36 17.527 -5.958 1.135 1.00 54.35 O ATOM 532 CB ASN A 36 17.173 -5.860 -1.723 1.00 23.01 C ATOM 533 CG ASN A 36 17.791 -7.139 -2.254 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.529 -8.228 -1.743 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.617 -7.012 -3.286 1.00 21.54 N ATOM 0 H ASN A 36 15.464 -4.162 -1.196 1.00 22.34 H new ATOM 0 HA ASN A 36 15.404 -6.930 -1.130 1.00 3.42 H new ATOM 0 HB2 ASN A 36 16.798 -5.267 -2.557 1.00 23.01 H new ATOM 0 HB3 ASN A 36 17.942 -5.265 -1.230 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.063 -7.837 -3.687 1.00 21.54 H new ATOM 0 HD22 ASN A 36 18.805 -6.089 -3.678 1.00 21.54 H new ATOM 542 N LEU A 37 16.037 -7.644 1.155 1.00 42.04 N ATOM 543 CA LEU A 37 16.487 -8.172 2.438 1.00 41.12 C ATOM 544 C LEU A 37 17.900 -8.736 2.329 1.00 34.43 C ATOM 545 O LEU A 37 18.550 -9.007 3.338 1.00 41.43 O ATOM 546 CB LEU A 37 15.529 -9.258 2.930 1.00 32.32 C ATOM 547 CG LEU A 37 14.039 -8.922 2.855 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.207 -10.193 2.797 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.625 -8.065 4.043 1.00 73.30 C ATOM 0 H LEU A 37 15.268 -8.164 0.732 1.00 42.04 H new ATOM 0 HA LEU A 37 16.497 -7.352 3.157 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.707 -10.162 2.348 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.777 -9.491 3.965 1.00 32.32 H new ATOM 0 HG LEU A 37 13.860 -8.354 1.942 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.150 -9.934 2.744 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.484 -10.769 1.914 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.390 -10.789 3.691 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.562 -7.836 3.973 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.819 -8.608 4.968 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.197 -7.137 4.039 1.00 73.30 H new ATOM 561 N ALA A 38 18.371 -8.908 1.099 1.00 11.43 N ATOM 562 CA ALA A 38 19.708 -9.435 0.858 1.00 64.01 C ATOM 563 C ALA A 38 20.759 -8.335 0.962 1.00 74.52 C ATOM 564 O ALA A 38 21.787 -8.503 1.619 1.00 11.43 O ATOM 565 CB ALA A 38 19.774 -10.103 -0.507 1.00 72.25 C ATOM 0 H ALA A 38 17.845 -8.690 0.253 1.00 11.43 H new ATOM 0 HA ALA A 38 19.922 -10.179 1.625 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.779 -10.492 -0.674 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.056 -10.923 -0.546 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.534 -9.374 -1.281 1.00 72.25 H new ATOM 571 N LYS A 39 20.495 -7.208 0.310 1.00 24.43 N ATOM 572 CA LYS A 39 21.417 -6.079 0.329 1.00 74.40 C ATOM 573 C LYS A 39 21.189 -5.209 1.561 1.00 20.11 C ATOM 574 O LYS A 39 22.127 -4.894 2.292 1.00 33.41 O ATOM 575 CB LYS A 39 21.253 -5.238 -0.940 1.00 32.01 C ATOM 576 CG LYS A 39 22.531 -4.547 -1.382 1.00 13.31 C ATOM 577 CD LYS A 39 22.304 -3.690 -2.615 1.00 0.14 C ATOM 578 CE LYS A 39 22.072 -4.543 -3.852 1.00 0.24 C ATOM 579 NZ LYS A 39 22.276 -3.769 -5.107 1.00 32.20 N ATOM 0 H LYS A 39 19.649 -7.052 -0.239 1.00 24.43 H new ATOM 0 HA LYS A 39 22.432 -6.473 0.368 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.899 -5.879 -1.747 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.483 -4.485 -0.770 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.909 -3.925 -0.570 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.295 -5.295 -1.593 1.00 13.31 H new ATOM 0 HD2 LYS A 39 21.444 -3.040 -2.454 1.00 0.14 H new ATOM 0 HD3 LYS A 39 23.167 -3.044 -2.774 1.00 0.14 H new ATOM 0 HE2 LYS A 39 22.751 -5.396 -3.837 1.00 0.24 H new ATOM 0 HE3 LYS A 39 21.058 -4.942 -3.833 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 22.108 -4.387 -5.927 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 21.611 -2.970 -5.134 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 23.251 -3.409 -5.138 1.00 32.20 H new ATOM 593 N ASP A 40 19.936 -4.827 1.785 1.00 63.34 N ATOM 594 CA ASP A 40 19.583 -3.997 2.931 1.00 12.34 C ATOM 595 C ASP A 40 20.149 -4.582 4.221 1.00 41.35 C ATOM 596 O ASP A 40 20.999 -3.972 4.871 1.00 11.14 O ATOM 597 CB ASP A 40 18.064 -3.862 3.042 1.00 60.32 C ATOM 598 CG ASP A 40 17.648 -2.655 3.860 1.00 10.42 C ATOM 599 OD1 ASP A 40 17.557 -2.782 5.098 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.412 -1.585 3.260 1.00 22.23 O ATOM 0 H ASP A 40 19.148 -5.079 1.188 1.00 63.34 H new ATOM 0 HA ASP A 40 20.018 -3.009 2.780 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.635 -3.785 2.043 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.654 -4.764 3.497 1.00 60.32 H new ATOM 605 N PHE A 41 19.673 -5.767 4.586 1.00 51.23 N ATOM 606 CA PHE A 41 20.130 -6.434 5.800 1.00 55.34 C ATOM 607 C PHE A 41 21.484 -7.101 5.578 1.00 13.42 C ATOM 608 O PHE A 41 22.065 -7.674 6.498 1.00 4.32 O ATOM 609 CB PHE A 41 19.104 -7.475 6.253 1.00 32.53 C ATOM 610 CG PHE A 41 17.806 -6.877 6.713 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.794 -5.789 7.572 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.596 -7.400 6.285 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.601 -5.237 7.997 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.399 -6.852 6.706 1.00 63.51 C ATOM 615 CZ PHE A 41 15.402 -5.768 7.563 1.00 32.44 C ATOM 0 H PHE A 41 18.971 -6.286 4.059 1.00 51.23 H new ATOM 0 HA PHE A 41 20.240 -5.680 6.579 1.00 55.34 H new ATOM 0 HB2 PHE A 41 18.907 -8.161 5.429 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.531 -8.065 7.064 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.728 -5.368 7.913 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.588 -8.246 5.614 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.606 -4.391 8.668 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.463 -7.270 6.366 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.468 -5.337 7.893 1.00 32.44 H new ATOM 625 N ASN A 42 21.981 -7.023 4.347 1.00 62.01 N ATOM 626 CA ASN A 42 23.266 -7.619 4.001 1.00 43.41 C ATOM 627 C ASN A 42 23.304 -9.092 4.395 1.00 32.20 C ATOM 628 O ASN A 42 24.321 -9.589 4.883 1.00 14.03 O ATOM 629 CB ASN A 42 24.403 -6.864 4.691 1.00 74.50 C ATOM 630 CG ASN A 42 24.917 -5.706 3.858 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.186 -5.856 2.666 1.00 64.32 O ATOM 632 ND2 ASN A 42 25.057 -4.543 4.484 1.00 71.31 N ATOM 0 H ASN A 42 21.513 -6.553 3.573 1.00 62.01 H new ATOM 0 HA ASN A 42 23.395 -7.547 2.921 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.055 -6.489 5.654 1.00 74.50 H new ATOM 0 HB3 ASN A 42 25.222 -7.553 4.895 1.00 74.50 H new ATOM 0 HD21 ASN A 42 25.400 -3.728 3.975 1.00 71.31 H new ATOM 0 HD22 ASN A 42 24.822 -4.465 5.473 1.00 71.31 H new ATOM 639 N LEU A 43 22.192 -9.786 4.182 1.00 0.14 N ATOM 640 CA LEU A 43 22.098 -11.204 4.514 1.00 4.12 C ATOM 641 C LEU A 43 23.247 -11.987 3.887 1.00 55.50 C ATOM 642 O LEU A 43 23.817 -11.571 2.878 1.00 12.51 O ATOM 643 CB LEU A 43 20.760 -11.772 4.039 1.00 2.23 C ATOM 644 CG LEU A 43 19.540 -11.421 4.893 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.267 -11.937 4.242 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.692 -11.989 6.297 1.00 61.35 C ATOM 0 H LEU A 43 21.342 -9.390 3.781 1.00 0.14 H new ATOM 0 HA LEU A 43 22.163 -11.303 5.598 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.580 -11.422 3.023 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.845 -12.858 3.992 1.00 2.23 H new ATOM 0 HG LEU A 43 19.471 -10.336 4.967 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.410 -11.678 4.864 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.152 -11.483 3.258 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.325 -13.020 4.137 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.816 -11.730 6.891 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.786 -13.074 6.243 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.584 -11.571 6.764 1.00 61.35 H new ATOM 658 N ASP A 44 23.580 -13.122 4.491 1.00 13.11 N ATOM 659 CA ASP A 44 24.659 -13.967 3.990 1.00 72.53 C ATOM 660 C ASP A 44 24.117 -15.044 3.056 1.00 75.24 C ATOM 661 O ASP A 44 22.937 -15.391 3.110 1.00 40.44 O ATOM 662 CB ASP A 44 25.411 -14.614 5.154 1.00 51.15 C ATOM 663 CG ASP A 44 26.824 -14.082 5.297 1.00 21.20 C ATOM 664 OD1 ASP A 44 26.979 -12.893 5.643 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.774 -14.857 5.064 1.00 63.34 O ATOM 0 H ASP A 44 23.119 -13.479 5.328 1.00 13.11 H new ATOM 0 HA ASP A 44 25.349 -13.338 3.427 1.00 72.53 H new ATOM 0 HB2 ASP A 44 24.864 -14.437 6.080 1.00 51.15 H new ATOM 0 HB3 ASP A 44 25.445 -15.693 5.006 1.00 51.15 H new ATOM 670 N SER A 45 24.986 -15.570 2.200 1.00 65.32 N ATOM 671 CA SER A 45 24.594 -16.605 1.250 1.00 60.12 C ATOM 672 C SER A 45 23.963 -17.792 1.971 1.00 31.24 C ATOM 673 O SER A 45 23.159 -18.527 1.396 1.00 40.22 O ATOM 674 CB SER A 45 25.806 -17.071 0.441 1.00 63.42 C ATOM 675 OG SER A 45 26.151 -16.121 -0.552 1.00 12.42 O ATOM 0 H SER A 45 25.967 -15.297 2.144 1.00 65.32 H new ATOM 0 HA SER A 45 23.855 -16.179 0.571 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.654 -17.229 1.108 1.00 63.42 H new ATOM 0 HB3 SER A 45 25.587 -18.030 -0.029 1.00 63.42 H new ATOM 0 HG SER A 45 26.929 -16.441 -1.054 1.00 12.42 H new ATOM 681 N LEU A 46 24.335 -17.974 3.234 1.00 71.33 N ATOM 682 CA LEU A 46 23.805 -19.073 4.035 1.00 25.25 C ATOM 683 C LEU A 46 22.354 -18.813 4.425 1.00 62.14 C ATOM 684 O LEU A 46 21.493 -19.678 4.263 1.00 62.33 O ATOM 685 CB LEU A 46 24.655 -19.269 5.292 1.00 13.24 C ATOM 686 CG LEU A 46 25.879 -20.171 5.141 1.00 31.11 C ATOM 687 CD1 LEU A 46 25.454 -21.618 4.940 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.748 -19.704 3.982 1.00 75.23 C ATOM 0 H LEU A 46 25.000 -17.376 3.725 1.00 71.33 H new ATOM 0 HA LEU A 46 23.843 -19.980 3.432 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.990 -18.290 5.636 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.019 -19.681 6.075 1.00 13.24 H new ATOM 0 HG LEU A 46 26.466 -20.109 6.057 1.00 31.11 H new ATOM 0 HD11 LEU A 46 26.339 -22.246 4.834 1.00 42.14 H new ATOM 0 HD12 LEU A 46 24.874 -21.950 5.801 1.00 42.14 H new ATOM 0 HD13 LEU A 46 24.844 -21.696 4.040 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.615 -20.359 3.890 1.00 75.23 H new ATOM 0 HD22 LEU A 46 26.170 -19.735 3.058 1.00 75.23 H new ATOM 0 HD23 LEU A 46 27.082 -18.683 4.166 1.00 75.23 H new ATOM 700 N ASP A 47 22.089 -17.616 4.935 1.00 2.12 N ATOM 701 CA ASP A 47 20.741 -17.240 5.345 1.00 55.22 C ATOM 702 C ASP A 47 19.770 -17.336 4.171 1.00 62.23 C ATOM 703 O ASP A 47 18.696 -17.927 4.287 1.00 64.30 O ATOM 704 CB ASP A 47 20.734 -15.820 5.913 1.00 35.55 C ATOM 705 CG ASP A 47 20.234 -15.772 7.344 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.016 -15.949 7.553 1.00 22.24 O ATOM 707 OD2 ASP A 47 21.061 -15.558 8.254 1.00 73.34 O ATOM 0 H ASP A 47 22.790 -16.889 5.075 1.00 2.12 H new ATOM 0 HA ASP A 47 20.417 -17.934 6.120 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.743 -15.409 5.870 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.104 -15.185 5.290 1.00 35.55 H new ATOM 712 N PHE A 48 20.154 -16.749 3.043 1.00 64.30 N ATOM 713 CA PHE A 48 19.318 -16.765 1.848 1.00 64.44 C ATOM 714 C PHE A 48 18.884 -18.189 1.508 1.00 11.41 C ATOM 715 O PHE A 48 17.707 -18.449 1.260 1.00 74.22 O ATOM 716 CB PHE A 48 20.068 -16.152 0.665 1.00 22.22 C ATOM 717 CG PHE A 48 19.165 -15.685 -0.441 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.491 -14.478 -0.338 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.990 -16.451 -1.581 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.659 -14.045 -1.354 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.160 -16.023 -2.600 1.00 10.41 C ATOM 722 CZ PHE A 48 17.493 -14.819 -2.485 1.00 43.02 C ATOM 0 H PHE A 48 21.040 -16.256 2.931 1.00 64.30 H new ATOM 0 HA PHE A 48 18.427 -16.170 2.050 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.661 -15.309 1.019 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.766 -16.888 0.267 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.617 -13.869 0.545 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.508 -17.394 -1.675 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.140 -13.102 -1.263 1.00 14.24 H new ATOM 0 HE2 PHE A 48 18.033 -16.629 -3.485 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.842 -14.483 -3.279 1.00 43.02 H new ATOM 732 N VAL A 49 19.845 -19.107 1.499 1.00 31.14 N ATOM 733 CA VAL A 49 19.565 -20.504 1.190 1.00 4.02 C ATOM 734 C VAL A 49 18.472 -21.058 2.096 1.00 75.11 C ATOM 735 O VAL A 49 17.488 -21.627 1.622 1.00 13.45 O ATOM 736 CB VAL A 49 20.828 -21.375 1.335 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.492 -22.842 1.110 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.907 -20.912 0.367 1.00 40.22 C ATOM 0 H VAL A 49 20.825 -18.908 1.702 1.00 31.14 H new ATOM 0 HA VAL A 49 19.226 -20.538 0.154 1.00 4.02 H new ATOM 0 HB VAL A 49 21.211 -21.266 2.350 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.395 -23.443 1.216 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.754 -23.163 1.845 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.085 -22.972 0.107 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.792 -21.538 0.482 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.537 -20.992 -0.655 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.166 -19.875 0.580 1.00 40.22 H new ATOM 748 N ASP A 50 18.651 -20.889 3.402 1.00 22.50 N ATOM 749 CA ASP A 50 17.678 -21.371 4.375 1.00 13.12 C ATOM 750 C ASP A 50 16.326 -20.695 4.173 1.00 71.13 C ATOM 751 O ASP A 50 15.278 -21.280 4.455 1.00 54.43 O ATOM 752 CB ASP A 50 18.180 -21.119 5.797 1.00 0.42 C ATOM 753 CG ASP A 50 19.107 -22.215 6.287 1.00 65.22 C ATOM 754 OD1 ASP A 50 18.731 -23.401 6.179 1.00 24.13 O ATOM 755 OD2 ASP A 50 20.207 -21.886 6.779 1.00 60.22 O ATOM 0 H ASP A 50 19.461 -20.422 3.811 1.00 22.50 H new ATOM 0 HA ASP A 50 17.553 -22.444 4.226 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.703 -20.163 5.831 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.327 -21.040 6.471 1.00 0.42 H new ATOM 760 N LEU A 51 16.355 -19.460 3.684 1.00 21.14 N ATOM 761 CA LEU A 51 15.130 -18.703 3.445 1.00 73.32 C ATOM 762 C LEU A 51 14.330 -19.310 2.297 1.00 12.04 C ATOM 763 O LEU A 51 13.172 -19.693 2.470 1.00 41.05 O ATOM 764 CB LEU A 51 15.463 -17.243 3.134 1.00 42.44 C ATOM 765 CG LEU A 51 15.394 -16.272 4.313 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.349 -15.107 4.104 1.00 12.25 C ATOM 767 CD2 LEU A 51 13.971 -15.769 4.506 1.00 62.45 C ATOM 0 H LEU A 51 17.212 -18.962 3.445 1.00 21.14 H new ATOM 0 HA LEU A 51 14.523 -18.746 4.349 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.468 -17.202 2.714 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.780 -16.892 2.360 1.00 42.44 H new ATOM 0 HG LEU A 51 15.696 -16.804 5.215 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.285 -14.427 4.954 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.368 -15.483 4.016 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.079 -14.574 3.192 1.00 12.25 H new ATOM 0 HD21 LEU A 51 13.940 -15.079 5.349 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.642 -15.254 3.604 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.310 -16.613 4.704 1.00 62.45 H new ATOM 779 N ILE A 52 14.955 -19.396 1.128 1.00 42.41 N ATOM 780 CA ILE A 52 14.302 -19.960 -0.047 1.00 64.52 C ATOM 781 C ILE A 52 13.855 -21.395 0.208 1.00 62.04 C ATOM 782 O ILE A 52 12.788 -21.813 -0.238 1.00 73.21 O ATOM 783 CB ILE A 52 15.231 -19.934 -1.275 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.555 -20.631 -0.954 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.476 -18.501 -1.723 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.566 -20.552 -2.076 1.00 45.42 C ATOM 0 H ILE A 52 15.913 -19.082 0.969 1.00 42.41 H new ATOM 0 HA ILE A 52 13.428 -19.340 -0.250 1.00 64.52 H new ATOM 0 HB ILE A 52 14.747 -20.471 -2.090 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.984 -20.184 -0.057 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.359 -21.679 -0.725 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.134 -18.499 -2.592 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.527 -18.035 -1.986 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.943 -17.941 -0.913 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.480 -21.067 -1.779 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.157 -21.025 -2.969 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.791 -19.507 -2.290 1.00 45.42 H new ATOM 798 N MET A 53 14.680 -22.146 0.932 1.00 51.11 N ATOM 799 CA MET A 53 14.369 -23.535 1.249 1.00 32.40 C ATOM 800 C MET A 53 13.190 -23.621 2.214 1.00 13.42 C ATOM 801 O MET A 53 12.318 -24.477 2.069 1.00 74.24 O ATOM 802 CB MET A 53 15.591 -24.228 1.855 1.00 44.13 C ATOM 803 CG MET A 53 16.676 -24.543 0.839 1.00 25.10 C ATOM 804 SD MET A 53 17.359 -26.200 1.042 1.00 72.30 S ATOM 805 CE MET A 53 15.906 -27.204 0.740 1.00 3.12 C ATOM 0 H MET A 53 15.568 -21.816 1.310 1.00 51.11 H new ATOM 0 HA MET A 53 14.096 -24.041 0.323 1.00 32.40 H new ATOM 0 HB2 MET A 53 16.009 -23.593 2.636 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.273 -25.154 2.334 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.267 -24.444 -0.166 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.478 -23.810 0.931 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.211 -28.185 0.375 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.345 -27.320 1.667 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.277 -26.719 -0.007 1.00 3.12 H new ATOM 815 N SER A 54 13.171 -22.728 3.199 1.00 2.33 N ATOM 816 CA SER A 54 12.101 -22.707 4.189 1.00 62.54 C ATOM 817 C SER A 54 10.752 -22.451 3.527 1.00 44.30 C ATOM 818 O SER A 54 9.800 -23.210 3.714 1.00 20.01 O ATOM 819 CB SER A 54 12.376 -21.632 5.243 1.00 71.54 C ATOM 820 OG SER A 54 11.172 -21.193 5.850 1.00 73.12 O ATOM 0 H SER A 54 13.884 -22.011 3.332 1.00 2.33 H new ATOM 0 HA SER A 54 12.068 -23.683 4.673 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.048 -22.028 6.005 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.883 -20.786 4.780 1.00 71.54 H new ATOM 0 HG SER A 54 11.375 -20.508 6.521 1.00 73.12 H new ATOM 826 N LEU A 55 10.675 -21.377 2.749 1.00 14.25 N ATOM 827 CA LEU A 55 9.441 -21.019 2.057 1.00 10.24 C ATOM 828 C LEU A 55 9.077 -22.072 1.016 1.00 75.25 C ATOM 829 O LEU A 55 7.904 -22.392 0.828 1.00 71.11 O ATOM 830 CB LEU A 55 9.588 -19.652 1.387 1.00 41.14 C ATOM 831 CG LEU A 55 9.179 -18.443 2.230 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.604 -17.151 1.552 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.678 -18.449 2.477 1.00 42.13 C ATOM 0 H LEU A 55 11.453 -20.738 2.581 1.00 14.25 H new ATOM 0 HA LEU A 55 8.640 -20.971 2.794 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.629 -19.526 1.089 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.992 -19.651 0.474 1.00 41.14 H new ATOM 0 HG LEU A 55 9.686 -18.507 3.193 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.304 -16.302 2.167 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.687 -17.145 1.427 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.126 -17.078 0.575 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.405 -17.582 3.078 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.152 -18.409 1.523 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.400 -19.360 3.007 1.00 42.13 H new ATOM 845 N GLU A 56 10.091 -22.608 0.344 1.00 54.04 N ATOM 846 CA GLU A 56 9.877 -23.627 -0.678 1.00 2.32 C ATOM 847 C GLU A 56 9.135 -24.828 -0.100 1.00 62.44 C ATOM 848 O GLU A 56 8.119 -25.263 -0.643 1.00 54.25 O ATOM 849 CB GLU A 56 11.213 -24.076 -1.272 1.00 1.43 C ATOM 850 CG GLU A 56 11.074 -25.132 -2.355 1.00 42.31 C ATOM 851 CD GLU A 56 12.376 -25.855 -2.635 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.304 -25.220 -3.178 1.00 62.11 O ATOM 853 OE2 GLU A 56 12.467 -27.058 -2.309 1.00 14.34 O ATOM 0 H GLU A 56 11.068 -22.354 0.488 1.00 54.04 H new ATOM 0 HA GLU A 56 9.267 -23.190 -1.468 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.727 -23.208 -1.686 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.843 -24.468 -0.473 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.317 -25.857 -2.055 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.719 -24.662 -3.272 1.00 42.31 H new ATOM 860 N GLU A 57 9.652 -25.361 1.003 1.00 54.50 N ATOM 861 CA GLU A 57 9.040 -26.514 1.654 1.00 24.33 C ATOM 862 C GLU A 57 7.732 -26.122 2.336 1.00 63.24 C ATOM 863 O GLU A 57 6.808 -26.930 2.441 1.00 51.32 O ATOM 864 CB GLU A 57 10.001 -27.120 2.678 1.00 70.42 C ATOM 865 CG GLU A 57 10.237 -26.233 3.889 1.00 45.51 C ATOM 866 CD GLU A 57 11.095 -26.904 4.944 1.00 41.40 C ATOM 867 OE1 GLU A 57 10.862 -28.097 5.230 1.00 54.52 O ATOM 868 OE2 GLU A 57 12.002 -26.235 5.484 1.00 54.44 O ATOM 0 H GLU A 57 10.493 -25.013 1.464 1.00 54.50 H new ATOM 0 HA GLU A 57 8.822 -27.258 0.888 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.605 -28.079 3.012 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.956 -27.321 2.193 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.717 -25.308 3.569 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.277 -25.959 4.327 1.00 45.51 H new ATOM 875 N ARG A 58 7.662 -24.879 2.799 1.00 53.32 N ATOM 876 CA ARG A 58 6.470 -24.380 3.474 1.00 13.33 C ATOM 877 C ARG A 58 5.249 -24.476 2.563 1.00 74.53 C ATOM 878 O ARG A 58 4.255 -25.115 2.906 1.00 31.54 O ATOM 879 CB ARG A 58 6.677 -22.930 3.915 1.00 54.15 C ATOM 880 CG ARG A 58 5.486 -22.344 4.659 1.00 74.42 C ATOM 881 CD ARG A 58 5.628 -22.517 6.162 1.00 52.45 C ATOM 882 NE ARG A 58 5.149 -23.822 6.610 1.00 53.44 N ATOM 883 CZ ARG A 58 5.012 -24.155 7.889 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.317 -23.284 8.840 1.00 42.21 N ATOM 885 NH2 ARG A 58 4.570 -25.361 8.218 1.00 23.43 N ATOM 0 H ARG A 58 8.417 -24.198 2.719 1.00 53.32 H new ATOM 0 HA ARG A 58 6.295 -24.999 4.354 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.557 -22.876 4.555 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.883 -22.318 3.037 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.393 -21.284 4.421 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.570 -22.829 4.321 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.674 -22.399 6.443 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.070 -21.731 6.672 1.00 52.45 H new ATOM 0 HE ARG A 58 4.906 -24.516 5.902 1.00 53.44 H new ATOM 0 HH11 ARG A 58 5.658 -22.355 8.591 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.211 -23.542 9.821 1.00 42.21 H new ATOM 0 HH21 ARG A 58 4.335 -26.034 7.489 1.00 23.43 H new ATOM 0 HH22 ARG A 58 4.465 -25.615 9.200 1.00 23.43 H new ATOM 899 N PHE A 59 5.333 -23.837 1.400 1.00 13.35 N ATOM 900 CA PHE A 59 4.236 -23.849 0.440 1.00 45.43 C ATOM 901 C PHE A 59 4.439 -24.944 -0.603 1.00 63.14 C ATOM 902 O PHE A 59 3.738 -24.990 -1.614 1.00 53.21 O ATOM 903 CB PHE A 59 4.117 -22.488 -0.248 1.00 45.14 C ATOM 904 CG PHE A 59 3.617 -21.399 0.658 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.498 -20.670 1.438 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.265 -21.107 0.729 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.041 -19.666 2.272 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.801 -20.105 1.561 1.00 62.10 C ATOM 909 CZ PHE A 59 2.690 -19.386 2.334 1.00 34.21 C ATOM 0 H PHE A 59 6.150 -23.305 1.100 1.00 13.35 H new ATOM 0 HA PHE A 59 3.313 -24.055 0.982 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.092 -22.203 -0.642 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.443 -22.578 -1.100 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.555 -20.888 1.395 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.565 -21.668 0.128 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.739 -19.102 2.873 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.745 -19.885 1.606 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.329 -18.605 2.987 1.00 34.21 H new ATOM 919 N SER A 60 5.403 -25.822 -0.351 1.00 31.03 N ATOM 920 CA SER A 60 5.702 -26.914 -1.270 1.00 23.01 C ATOM 921 C SER A 60 5.902 -26.390 -2.689 1.00 74.45 C ATOM 922 O SER A 60 5.628 -27.090 -3.666 1.00 64.52 O ATOM 923 CB SER A 60 4.575 -27.949 -1.251 1.00 35.11 C ATOM 924 OG SER A 60 4.044 -28.100 0.055 1.00 74.33 O ATOM 0 H SER A 60 5.991 -25.799 0.482 1.00 31.03 H new ATOM 0 HA SER A 60 6.627 -27.389 -0.942 1.00 23.01 H new ATOM 0 HB2 SER A 60 3.784 -27.643 -1.936 1.00 35.11 H new ATOM 0 HB3 SER A 60 4.951 -28.908 -1.607 1.00 35.11 H new ATOM 0 HG SER A 60 3.324 -28.765 0.041 1.00 74.33 H new ATOM 930 N LEU A 61 6.383 -25.157 -2.795 1.00 21.40 N ATOM 931 CA LEU A 61 6.620 -24.537 -4.094 1.00 71.22 C ATOM 932 C LEU A 61 7.887 -25.091 -4.738 1.00 54.53 C ATOM 933 O LEU A 61 8.782 -25.578 -4.049 1.00 0.43 O ATOM 934 CB LEU A 61 6.731 -23.018 -3.945 1.00 74.25 C ATOM 935 CG LEU A 61 7.013 -22.236 -5.229 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.899 -22.451 -6.240 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.183 -20.755 -4.923 1.00 62.50 C ATOM 0 H LEU A 61 6.617 -24.566 -1.997 1.00 21.40 H new ATOM 0 HA LEU A 61 5.774 -24.771 -4.740 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.801 -22.646 -3.514 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.524 -22.800 -3.229 1.00 74.25 H new ATOM 0 HG LEU A 61 7.943 -22.606 -5.662 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.117 -21.887 -7.147 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.826 -23.512 -6.481 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.954 -22.109 -5.818 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.383 -20.213 -5.847 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.271 -20.371 -4.467 1.00 62.50 H new ATOM 0 HD23 LEU A 61 8.017 -20.619 -4.235 1.00 62.50 H new ATOM 949 N GLU A 62 7.956 -25.009 -6.063 1.00 64.11 N ATOM 950 CA GLU A 62 9.116 -25.501 -6.799 1.00 40.54 C ATOM 951 C GLU A 62 9.985 -24.343 -7.280 1.00 32.21 C ATOM 952 O GLU A 62 9.739 -23.769 -8.340 1.00 65.30 O ATOM 953 CB GLU A 62 8.669 -26.348 -7.992 1.00 3.23 C ATOM 954 CG GLU A 62 7.654 -27.420 -7.631 1.00 44.02 C ATOM 955 CD GLU A 62 7.322 -28.327 -8.800 1.00 2.22 C ATOM 956 OE1 GLU A 62 7.431 -27.867 -9.956 1.00 33.24 O ATOM 957 OE2 GLU A 62 6.954 -29.495 -8.560 1.00 32.41 O ATOM 0 H GLU A 62 7.224 -24.607 -6.648 1.00 64.11 H new ATOM 0 HA GLU A 62 9.707 -26.121 -6.124 1.00 40.54 H new ATOM 0 HB2 GLU A 62 8.240 -25.694 -8.751 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.543 -26.823 -8.438 1.00 3.23 H new ATOM 0 HG2 GLU A 62 8.043 -28.021 -6.809 1.00 44.02 H new ATOM 0 HG3 GLU A 62 6.740 -26.945 -7.274 1.00 44.02 H new ATOM 964 N ILE A 63 11.002 -24.007 -6.493 1.00 12.34 N ATOM 965 CA ILE A 63 11.909 -22.921 -6.839 1.00 13.42 C ATOM 966 C ILE A 63 13.194 -23.453 -7.463 1.00 50.35 C ATOM 967 O ILE A 63 13.752 -24.449 -7.003 1.00 1.03 O ATOM 968 CB ILE A 63 12.264 -22.070 -5.605 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.992 -21.553 -4.931 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.168 -20.913 -6.002 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.234 -20.950 -3.565 1.00 31.30 C ATOM 0 H ILE A 63 11.218 -24.472 -5.611 1.00 12.34 H new ATOM 0 HA ILE A 63 11.389 -22.296 -7.565 1.00 13.42 H new ATOM 0 HB ILE A 63 12.800 -22.696 -4.892 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.529 -20.804 -5.573 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.281 -22.374 -4.836 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.410 -20.321 -5.119 1.00 44.33 H new ATOM 0 HG22 ILE A 63 14.087 -21.303 -6.441 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.656 -20.285 -6.731 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.288 -20.605 -3.147 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.668 -21.703 -2.907 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.920 -20.108 -3.655 1.00 31.30 H new ATOM 983 N SER A 64 13.658 -22.782 -8.513 1.00 62.12 N ATOM 984 CA SER A 64 14.877 -23.189 -9.202 1.00 24.42 C ATOM 985 C SER A 64 15.987 -22.164 -8.992 1.00 43.13 C ATOM 986 O SER A 64 15.758 -21.087 -8.442 1.00 51.43 O ATOM 987 CB SER A 64 14.607 -23.368 -10.696 1.00 11.30 C ATOM 988 OG SER A 64 13.306 -23.881 -10.923 1.00 62.42 O ATOM 0 H SER A 64 13.208 -21.955 -8.905 1.00 62.12 H new ATOM 0 HA SER A 64 15.202 -24.141 -8.783 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.717 -22.411 -11.206 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.347 -24.044 -11.124 1.00 11.30 H new ATOM 0 HG SER A 64 12.646 -23.170 -10.788 1.00 62.42 H new ATOM 994 N ASP A 65 17.192 -22.508 -9.434 1.00 62.34 N ATOM 995 CA ASP A 65 18.339 -21.618 -9.298 1.00 23.42 C ATOM 996 C ASP A 65 18.115 -20.320 -10.067 1.00 74.13 C ATOM 997 O ASP A 65 18.471 -19.240 -9.596 1.00 54.05 O ATOM 998 CB ASP A 65 19.610 -22.308 -9.797 1.00 52.11 C ATOM 999 CG ASP A 65 20.869 -21.570 -9.388 1.00 70.32 C ATOM 1000 OD1 ASP A 65 20.887 -20.997 -8.279 1.00 71.50 O ATOM 1001 OD2 ASP A 65 21.836 -21.563 -10.179 1.00 61.43 O ATOM 0 H ASP A 65 17.400 -23.397 -9.889 1.00 62.34 H new ATOM 0 HA ASP A 65 18.456 -21.377 -8.241 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.645 -23.325 -9.406 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.575 -22.386 -10.884 1.00 52.11 H new ATOM 1006 N GLU A 66 17.524 -20.435 -11.252 1.00 21.54 N ATOM 1007 CA GLU A 66 17.255 -19.269 -12.086 1.00 3.53 C ATOM 1008 C GLU A 66 16.076 -18.470 -11.541 1.00 44.45 C ATOM 1009 O GLU A 66 16.043 -17.244 -11.642 1.00 51.24 O ATOM 1010 CB GLU A 66 16.971 -19.701 -13.527 1.00 13.04 C ATOM 1011 CG GLU A 66 18.189 -19.637 -14.433 1.00 65.22 C ATOM 1012 CD GLU A 66 19.174 -20.758 -14.164 1.00 70.22 C ATOM 1013 OE1 GLU A 66 18.931 -21.889 -14.635 1.00 75.31 O ATOM 1014 OE2 GLU A 66 20.190 -20.503 -13.484 1.00 23.41 O ATOM 0 H GLU A 66 17.223 -21.322 -11.656 1.00 21.54 H new ATOM 0 HA GLU A 66 18.139 -18.632 -12.072 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.585 -20.720 -13.522 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.188 -19.066 -13.940 1.00 13.04 H new ATOM 0 HG2 GLU A 66 17.867 -19.683 -15.473 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.689 -18.678 -14.297 1.00 65.22 H new ATOM 1021 N ASP A 67 15.109 -19.174 -10.963 1.00 50.34 N ATOM 1022 CA ASP A 67 13.927 -18.531 -10.400 1.00 4.40 C ATOM 1023 C ASP A 67 14.319 -17.482 -9.365 1.00 63.04 C ATOM 1024 O ASP A 67 13.829 -16.354 -9.392 1.00 63.01 O ATOM 1025 CB ASP A 67 13.007 -19.575 -9.764 1.00 31.35 C ATOM 1026 CG ASP A 67 12.542 -20.620 -10.759 1.00 43.02 C ATOM 1027 OD1 ASP A 67 12.871 -20.488 -11.956 1.00 3.12 O ATOM 1028 OD2 ASP A 67 11.850 -21.570 -10.339 1.00 23.01 O ATOM 0 H ASP A 67 15.120 -20.190 -10.872 1.00 50.34 H new ATOM 0 HA ASP A 67 13.394 -18.033 -11.210 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.532 -20.066 -8.944 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.139 -19.076 -9.333 1.00 31.35 H new ATOM 1033 N ALA A 68 15.207 -17.863 -8.452 1.00 50.52 N ATOM 1034 CA ALA A 68 15.666 -16.955 -7.408 1.00 14.12 C ATOM 1035 C ALA A 68 16.525 -15.837 -7.991 1.00 75.14 C ATOM 1036 O ALA A 68 16.657 -14.769 -7.394 1.00 20.01 O ATOM 1037 CB ALA A 68 16.443 -17.721 -6.347 1.00 45.43 C ATOM 0 H ALA A 68 15.622 -18.794 -8.414 1.00 50.52 H new ATOM 0 HA ALA A 68 14.790 -16.501 -6.945 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.780 -17.031 -5.574 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.799 -18.479 -5.901 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.307 -18.202 -6.805 1.00 45.43 H new ATOM 1043 N GLN A 69 17.105 -16.091 -9.160 1.00 33.43 N ATOM 1044 CA GLN A 69 17.951 -15.106 -9.822 1.00 50.50 C ATOM 1045 C GLN A 69 17.196 -13.799 -10.042 1.00 42.43 C ATOM 1046 O GLN A 69 17.799 -12.734 -10.165 1.00 20.02 O ATOM 1047 CB GLN A 69 18.454 -15.650 -11.159 1.00 42.55 C ATOM 1048 CG GLN A 69 19.947 -15.459 -11.372 1.00 42.41 C ATOM 1049 CD GLN A 69 20.453 -16.160 -12.618 1.00 21.43 C ATOM 1050 OE1 GLN A 69 20.140 -17.326 -12.858 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.241 -15.450 -13.417 1.00 70.11 N ATOM 0 H GLN A 69 17.004 -16.970 -9.667 1.00 33.43 H new ATOM 0 HA GLN A 69 18.805 -14.906 -9.176 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.220 -16.713 -11.220 1.00 42.55 H new ATOM 0 HB3 GLN A 69 17.914 -15.158 -11.968 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.167 -14.394 -11.444 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.485 -15.837 -10.503 1.00 42.41 H new ATOM 0 HE21 GLN A 69 21.474 -14.486 -13.178 1.00 70.11 H new ATOM 0 HE22 GLN A 69 21.613 -15.868 -14.270 1.00 70.11 H new ATOM 1060 N LYS A 70 15.871 -13.889 -10.091 1.00 74.45 N ATOM 1061 CA LYS A 70 15.031 -12.715 -10.296 1.00 1.53 C ATOM 1062 C LYS A 70 14.230 -12.393 -9.039 1.00 1.43 C ATOM 1063 O LYS A 70 13.288 -11.600 -9.076 1.00 51.12 O ATOM 1064 CB LYS A 70 14.082 -12.941 -11.474 1.00 34.22 C ATOM 1065 CG LYS A 70 12.919 -13.863 -11.151 1.00 63.44 C ATOM 1066 CD LYS A 70 12.758 -14.948 -12.203 1.00 33.11 C ATOM 1067 CE LYS A 70 12.166 -14.392 -13.489 1.00 71.42 C ATOM 1068 NZ LYS A 70 12.033 -15.443 -14.537 1.00 44.31 N ATOM 0 H LYS A 70 15.356 -14.764 -9.991 1.00 74.45 H new ATOM 0 HA LYS A 70 15.681 -11.869 -10.518 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.691 -11.979 -11.804 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.645 -13.359 -12.308 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.078 -14.322 -10.175 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.000 -13.281 -11.084 1.00 63.44 H new ATOM 0 HD2 LYS A 70 13.727 -15.400 -12.413 1.00 33.11 H new ATOM 0 HD3 LYS A 70 12.115 -15.739 -11.817 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.187 -13.960 -13.281 1.00 71.42 H new ATOM 0 HE3 LYS A 70 12.798 -13.586 -13.861 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 11.626 -15.025 -15.398 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 12.970 -15.838 -14.754 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 11.410 -16.200 -14.192 1.00 44.31 H new ATOM 1082 N LEU A 71 14.609 -13.011 -7.926 1.00 13.15 N ATOM 1083 CA LEU A 71 13.928 -12.789 -6.656 1.00 10.42 C ATOM 1084 C LEU A 71 14.904 -12.302 -5.591 1.00 61.30 C ATOM 1085 O LEU A 71 15.624 -13.095 -4.987 1.00 61.23 O ATOM 1086 CB LEU A 71 13.247 -14.076 -6.189 1.00 23.55 C ATOM 1087 CG LEU A 71 12.210 -14.672 -7.142 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.711 -16.010 -6.620 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.050 -13.708 -7.339 1.00 12.53 C ATOM 0 H LEU A 71 15.385 -13.671 -7.878 1.00 13.15 H new ATOM 0 HA LEU A 71 13.172 -12.019 -6.808 1.00 10.42 H new ATOM 0 HB2 LEU A 71 14.017 -14.826 -6.008 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.762 -13.880 -5.233 1.00 23.55 H new ATOM 0 HG LEU A 71 12.686 -14.838 -8.108 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.974 -16.418 -7.311 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.549 -16.702 -6.532 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.252 -15.870 -5.641 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.322 -14.149 -8.020 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.575 -13.510 -6.378 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.421 -12.774 -7.760 1.00 12.53 H new ATOM 1101 N GLU A 72 14.922 -10.991 -5.365 1.00 14.33 N ATOM 1102 CA GLU A 72 15.809 -10.399 -4.372 1.00 73.52 C ATOM 1103 C GLU A 72 15.017 -9.597 -3.344 1.00 43.43 C ATOM 1104 O GLU A 72 15.341 -9.597 -2.156 1.00 73.12 O ATOM 1105 CB GLU A 72 16.843 -9.499 -5.052 1.00 41.34 C ATOM 1106 CG GLU A 72 16.251 -8.587 -6.114 1.00 21.33 C ATOM 1107 CD GLU A 72 16.103 -9.275 -7.456 1.00 53.11 C ATOM 1108 OE1 GLU A 72 16.508 -10.451 -7.568 1.00 42.31 O ATOM 1109 OE2 GLU A 72 15.583 -8.638 -8.396 1.00 52.00 O ATOM 0 H GLU A 72 14.332 -10.320 -5.857 1.00 14.33 H new ATOM 0 HA GLU A 72 16.326 -11.208 -3.855 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.336 -8.889 -4.295 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.612 -10.123 -5.508 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.275 -8.234 -5.781 1.00 21.33 H new ATOM 0 HG3 GLU A 72 16.886 -7.708 -6.228 1.00 21.33 H new ATOM 1116 N THR A 73 13.977 -8.913 -3.810 1.00 72.44 N ATOM 1117 CA THR A 73 13.139 -8.105 -2.932 1.00 4.34 C ATOM 1118 C THR A 73 11.940 -8.901 -2.431 1.00 12.00 C ATOM 1119 O THR A 73 11.486 -9.839 -3.087 1.00 42.34 O ATOM 1120 CB THR A 73 12.635 -6.837 -3.648 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.319 -7.138 -5.012 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.682 -5.735 -3.595 1.00 4.33 C ATOM 0 H THR A 73 13.695 -8.902 -4.790 1.00 72.44 H new ATOM 0 HA THR A 73 13.759 -7.814 -2.084 1.00 4.34 H new ATOM 0 HB THR A 73 11.738 -6.489 -3.137 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.998 -6.328 -5.460 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.305 -4.850 -4.107 1.00 4.33 H new ATOM 0 HG22 THR A 73 13.899 -5.489 -2.556 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.594 -6.076 -4.085 1.00 4.33 H new ATOM 1130 N VAL A 74 11.431 -8.523 -1.263 1.00 44.25 N ATOM 1131 CA VAL A 74 10.283 -9.201 -0.672 1.00 71.10 C ATOM 1132 C VAL A 74 9.124 -9.280 -1.660 1.00 60.12 C ATOM 1133 O VAL A 74 8.576 -10.354 -1.904 1.00 22.51 O ATOM 1134 CB VAL A 74 9.806 -8.489 0.607 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.694 -9.281 1.277 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.970 -8.275 1.563 1.00 34.04 C ATOM 0 H VAL A 74 11.796 -7.750 -0.707 1.00 44.25 H new ATOM 0 HA VAL A 74 10.608 -10.209 -0.416 1.00 71.10 H new ATOM 0 HB VAL A 74 9.408 -7.513 0.331 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.370 -8.762 2.179 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.852 -9.377 0.592 1.00 52.13 H new ATOM 0 HG13 VAL A 74 9.062 -10.272 1.541 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.615 -7.771 2.462 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.400 -9.239 1.834 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.730 -7.662 1.079 1.00 34.04 H new ATOM 1146 N ASP A 75 8.758 -8.135 -2.224 1.00 22.54 N ATOM 1147 CA ASP A 75 7.664 -8.073 -3.188 1.00 40.14 C ATOM 1148 C ASP A 75 7.875 -9.079 -4.314 1.00 70.00 C ATOM 1149 O ASP A 75 6.933 -9.734 -4.760 1.00 42.53 O ATOM 1150 CB ASP A 75 7.542 -6.661 -3.763 1.00 63.23 C ATOM 1151 CG ASP A 75 6.325 -6.501 -4.651 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.253 -7.034 -4.292 1.00 1.32 O ATOM 1153 OD2 ASP A 75 6.441 -5.842 -5.706 1.00 23.41 O ATOM 0 H ASP A 75 9.202 -7.237 -2.031 1.00 22.54 H new ATOM 0 HA ASP A 75 6.740 -8.326 -2.669 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.488 -5.942 -2.945 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.439 -6.426 -4.336 1.00 63.23 H new ATOM 1158 N ASP A 76 9.117 -9.195 -4.771 1.00 53.01 N ATOM 1159 CA ASP A 76 9.452 -10.122 -5.847 1.00 32.13 C ATOM 1160 C ASP A 76 9.215 -11.565 -5.415 1.00 4.15 C ATOM 1161 O ASP A 76 8.582 -12.341 -6.129 1.00 73.03 O ATOM 1162 CB ASP A 76 10.909 -9.936 -6.274 1.00 73.52 C ATOM 1163 CG ASP A 76 11.067 -9.859 -7.780 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.360 -10.606 -8.489 1.00 43.24 O ATOM 1165 OD2 ASP A 76 11.896 -9.052 -8.248 1.00 14.20 O ATOM 0 H ASP A 76 9.908 -8.659 -4.414 1.00 53.01 H new ATOM 0 HA ASP A 76 8.803 -9.905 -6.695 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.303 -9.025 -5.823 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.505 -10.764 -5.891 1.00 73.52 H new ATOM 1170 N ILE A 77 9.731 -11.917 -4.241 1.00 33.41 N ATOM 1171 CA ILE A 77 9.575 -13.267 -3.714 1.00 42.01 C ATOM 1172 C ILE A 77 8.106 -13.600 -3.478 1.00 14.23 C ATOM 1173 O ILE A 77 7.595 -14.596 -3.990 1.00 4.43 O ATOM 1174 CB ILE A 77 10.350 -13.449 -2.395 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.825 -13.092 -2.590 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.207 -14.877 -1.890 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.630 -13.128 -1.310 1.00 0.20 C ATOM 0 H ILE A 77 10.260 -11.287 -3.638 1.00 33.41 H new ATOM 0 HA ILE A 77 9.982 -13.947 -4.462 1.00 42.01 H new ATOM 0 HB ILE A 77 9.929 -12.776 -1.648 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.266 -13.785 -3.307 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.895 -12.095 -3.026 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.760 -14.990 -0.958 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.154 -15.098 -1.716 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.605 -15.567 -2.634 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.666 -12.864 -1.524 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.214 -12.415 -0.598 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.591 -14.131 -0.884 1.00 0.20 H new ATOM 1189 N CYS A 78 7.433 -12.759 -2.701 1.00 61.25 N ATOM 1190 CA CYS A 78 6.020 -12.962 -2.397 1.00 2.14 C ATOM 1191 C CYS A 78 5.199 -13.068 -3.678 1.00 72.24 C ATOM 1192 O CYS A 78 4.321 -13.923 -3.795 1.00 42.05 O ATOM 1193 CB CYS A 78 5.493 -11.818 -1.531 1.00 33.40 C ATOM 1194 SG CYS A 78 3.865 -12.128 -0.809 1.00 42.35 S ATOM 0 H CYS A 78 7.842 -11.930 -2.270 1.00 61.25 H new ATOM 0 HA CYS A 78 5.923 -13.898 -1.846 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.205 -11.627 -0.728 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.444 -10.912 -2.135 1.00 33.40 H new ATOM 0 HG CYS A 78 3.207 -12.958 -1.563 1.00 42.35 H new ATOM 1200 N ARG A 79 5.489 -12.193 -4.635 1.00 42.12 N ATOM 1201 CA ARG A 79 4.775 -12.185 -5.906 1.00 32.51 C ATOM 1202 C ARG A 79 4.968 -13.506 -6.646 1.00 62.11 C ATOM 1203 O ARG A 79 4.011 -14.087 -7.158 1.00 54.33 O ATOM 1204 CB ARG A 79 5.257 -11.024 -6.779 1.00 34.14 C ATOM 1205 CG ARG A 79 4.582 -9.701 -6.460 1.00 33.33 C ATOM 1206 CD ARG A 79 5.351 -8.527 -7.045 1.00 43.34 C ATOM 1207 NE ARG A 79 5.087 -8.356 -8.471 1.00 64.15 N ATOM 1208 CZ ARG A 79 5.767 -7.521 -9.249 1.00 42.12 C ATOM 1209 NH1 ARG A 79 6.745 -6.784 -8.741 1.00 41.13 N ATOM 1210 NH2 ARG A 79 5.469 -7.422 -10.538 1.00 72.00 N ATOM 0 H ARG A 79 6.214 -11.480 -4.554 1.00 42.12 H new ATOM 0 HA ARG A 79 3.713 -12.057 -5.697 1.00 32.51 H new ATOM 0 HB2 ARG A 79 6.334 -10.911 -6.656 1.00 34.14 H new ATOM 0 HB3 ARG A 79 5.079 -11.270 -7.826 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.566 -9.705 -6.855 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.503 -9.583 -5.379 1.00 33.33 H new ATOM 0 HD2 ARG A 79 5.079 -7.615 -6.514 1.00 43.34 H new ATOM 0 HD3 ARG A 79 6.419 -8.680 -6.890 1.00 43.34 H new ATOM 0 HE ARG A 79 4.340 -8.908 -8.893 1.00 64.15 H new ATOM 0 HH11 ARG A 79 6.977 -6.857 -7.750 1.00 41.13 H new ATOM 0 HH12 ARG A 79 7.265 -6.144 -9.341 1.00 41.13 H new ATOM 0 HH21 ARG A 79 4.717 -7.987 -10.933 1.00 72.00 H new ATOM 0 HH22 ARG A 79 5.992 -6.781 -11.134 1.00 72.00 H new ATOM 1224 N TYR A 80 6.210 -13.972 -6.697 1.00 65.34 N ATOM 1225 CA TYR A 80 6.529 -15.223 -7.377 1.00 50.23 C ATOM 1226 C TYR A 80 5.812 -16.398 -6.719 1.00 33.42 C ATOM 1227 O TYR A 80 5.348 -17.315 -7.398 1.00 3.40 O ATOM 1228 CB TYR A 80 8.040 -15.462 -7.367 1.00 55.12 C ATOM 1229 CG TYR A 80 8.438 -16.834 -7.860 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.482 -17.921 -6.993 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.773 -17.046 -9.192 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.847 -19.176 -7.439 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.137 -18.299 -9.647 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.172 -19.360 -8.767 1.00 53.44 C ATOM 1235 OH TYR A 80 9.536 -20.609 -9.216 1.00 12.11 O ATOM 0 H TYR A 80 7.013 -13.504 -6.276 1.00 65.34 H new ATOM 0 HA TYR A 80 6.187 -15.144 -8.409 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.523 -14.708 -7.988 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.414 -15.327 -6.352 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.226 -17.781 -5.953 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.748 -16.217 -9.884 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.878 -20.009 -6.752 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.393 -18.446 -10.686 1.00 4.04 H new ATOM 0 HH TYR A 80 10.496 -20.620 -9.410 1.00 12.11 H new ATOM 1245 N ILE A 81 5.726 -16.363 -5.394 1.00 75.45 N ATOM 1246 CA ILE A 81 5.064 -17.424 -4.644 1.00 44.21 C ATOM 1247 C ILE A 81 3.548 -17.328 -4.778 1.00 45.44 C ATOM 1248 O ILE A 81 2.854 -18.344 -4.833 1.00 63.42 O ATOM 1249 CB ILE A 81 5.440 -17.376 -3.151 1.00 32.32 C ATOM 1250 CG1 ILE A 81 6.952 -17.533 -2.978 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.699 -18.460 -2.383 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.438 -17.206 -1.583 1.00 20.45 C ATOM 0 H ILE A 81 6.106 -15.612 -4.817 1.00 75.45 H new ATOM 0 HA ILE A 81 5.405 -18.369 -5.066 1.00 44.21 H new ATOM 0 HB ILE A 81 5.146 -16.407 -2.749 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.233 -18.558 -3.221 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.460 -16.885 -3.692 1.00 21.53 H new ATOM 0 HG21 ILE A 81 4.975 -18.413 -1.330 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.624 -18.307 -2.483 1.00 70.44 H new ATOM 0 HG23 ILE A 81 4.966 -19.438 -2.785 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.519 -17.339 -1.534 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.188 -16.172 -1.344 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.957 -17.871 -0.865 1.00 20.45 H new ATOM 1264 N ALA A 82 3.040 -16.102 -4.833 1.00 24.44 N ATOM 1265 CA ALA A 82 1.607 -15.873 -4.965 1.00 74.32 C ATOM 1266 C ALA A 82 1.091 -16.380 -6.308 1.00 1.20 C ATOM 1267 O ALA A 82 0.060 -17.048 -6.376 1.00 72.43 O ATOM 1268 CB ALA A 82 1.290 -14.394 -4.800 1.00 50.42 C ATOM 0 H ALA A 82 3.600 -15.251 -4.788 1.00 24.44 H new ATOM 0 HA ALA A 82 1.102 -16.431 -4.177 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.216 -14.239 -4.901 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.614 -14.060 -3.814 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.813 -13.822 -5.566 1.00 50.42 H new ATOM 1274 N SER A 83 1.817 -16.057 -7.374 1.00 34.12 N ATOM 1275 CA SER A 83 1.429 -16.476 -8.717 1.00 43.14 C ATOM 1276 C SER A 83 1.236 -17.988 -8.779 1.00 54.13 C ATOM 1277 O SER A 83 0.476 -18.496 -9.605 1.00 22.31 O ATOM 1278 CB SER A 83 2.487 -16.043 -9.733 1.00 1.43 C ATOM 1279 OG SER A 83 2.047 -16.278 -11.059 1.00 10.43 O ATOM 0 H SER A 83 2.675 -15.508 -7.334 1.00 34.12 H new ATOM 0 HA SER A 83 0.482 -15.996 -8.962 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.709 -14.984 -9.603 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.414 -16.588 -9.552 1.00 1.43 H new ATOM 0 HG SER A 83 2.740 -15.991 -11.689 1.00 10.43 H new ATOM 1285 N LYS A 84 1.929 -18.704 -7.899 1.00 42.25 N ATOM 1286 CA LYS A 84 1.834 -20.158 -7.852 1.00 0.24 C ATOM 1287 C LYS A 84 0.671 -20.599 -6.969 1.00 65.15 C ATOM 1288 O LYS A 84 -0.209 -21.338 -7.410 1.00 0.04 O ATOM 1289 CB LYS A 84 3.142 -20.757 -7.328 1.00 70.24 C ATOM 1290 CG LYS A 84 4.362 -20.354 -8.136 1.00 52.41 C ATOM 1291 CD LYS A 84 4.677 -21.374 -9.218 1.00 32.14 C ATOM 1292 CE LYS A 84 6.079 -21.179 -9.776 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.101 -20.181 -10.882 1.00 51.04 N ATOM 0 H LYS A 84 2.562 -18.300 -7.209 1.00 42.25 H new ATOM 0 HA LYS A 84 1.655 -20.519 -8.865 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.284 -20.448 -6.292 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.060 -21.844 -7.328 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.191 -19.379 -8.593 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.220 -20.249 -7.473 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.583 -22.380 -8.809 1.00 32.14 H new ATOM 0 HD3 LYS A 84 3.948 -21.288 -10.024 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.745 -20.852 -8.978 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.461 -22.133 -10.140 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.073 -20.076 -11.236 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 5.485 -20.505 -11.654 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 5.760 -19.264 -10.529 1.00 51.04 H new